AMBER Archive (2009)

Subject: [AMBER] precision in the trajectory files

From: Jenny Iskrenova (jnova2001_at_gmail.com)
Date: Mon Feb 02 2009 - 08:43:38 CST

Dear AMBER,

I am concerned about the precision of the values in AMBER trajectory
files mdcrd. Since, we are bound to manipulate the coordinates in the
trajectory file in order to extract any useful information, it seems
to me that the precision with which the coordinates are output is not
satisfactory.

Is there a way to request higher precision of the numbers in mdcrd? Is
there a way to request the trajectory files to be binary instead of
ASCII? I don't mean converting the ASCII files into binary because
that would not add precision.

Thank you!
Jenny Iskrenova

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